4-(dimethylsulfamoyl)-N-[[5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-(dimethylsulfamoyl)-N-[[5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-(dimethylsulfamoyl)-N-[[5-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-(dimethylsulfamoyl)-N-[[5-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-(dimethylsulfamoyl)-N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-(dimethylsulfamoyl)-N-[[5-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C27H27FN6O4S2 MolecularWeight: 582.669483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C27H27FN6O4S2/c1-18-5-4-6-22(15-18)34-24(16-29-26(36)19-7-13-23(14-8-19)40(37,38)33(2)3)31-32-27(34)39-17-25(35)30-21-11-9-20(28)10-12-21/h4-15H,16-17H2,1-3H3,(H,29,36)(H,30,35)